34521 -OEChem-10051722063D 28 29 0 1 0 0 0 0 0999 V2000 -2.6922 -0.7025 0.5204 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 0.8829 -0.8709 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2429 -2.3755 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5176 -0.1400 0.3003 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6488 0.7313 0.5330 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1844 1.0606 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8886 -0.2066 0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2108 1.2517 -0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -1.1876 0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6716 0.9480 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4959 -1.4280 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0487 0.8819 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8731 -1.4940 -0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6495 -0.3390 -0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8786 2.1168 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2564 1.0884 1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8881 1.9422 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9573 1.2147 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6921 0.8255 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1463 2.3426 -0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2392 1.9131 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 -2.3601 -0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3419 -2.4443 -0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7216 -0.4051 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6219 -0.0871 -0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8251 2.0094 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3558 2.9746 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1022 2.3345 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 8 1 0 0 0 0 2 25 1 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 M END > DB09245 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MXUNKHLAEDCYJL-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC(=CC=C1)N1CC(CO)OC1=O > InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3 > MXUNKHLAEDCYJL-UHFFFAOYSA-N > C11H13NO3 > 207.229 > 207.089543283 > 3 > 28 > 21.750061879351435 > 1 > 1 > 0 > 1 > 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one > 0.61 > 1.405874892 > -0.58 > 0 > 2 > 0 > 14.608044801547614 > -1.7200269650467828 > 49.769999999999996 > 54.6952 > 2 > 1 > 5.49e+01 g/l > toloxatone > 0 $$$$